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DocumentationIdentifier: MM355715
2D Structure
3D Structure
Source:
| General | |
| Identifier | MM355715 |
| SMILES |
C#CC=CC(O)C(N)C#C
|
| InChIKey |
CSBJYIWKUCXITC-UHFFFAOYSA-N
|
| MW [Da] |
135.17
Automatically obtained from RDkit software. |
| LogP |
-0.5
Automatically obtained from RDkit software. |
| Links | |
|
PubChem |
N/A |
|
DrugBank |
N/A |
|
ChEBI |
N/A |
|
PDB |
N/A |
|
ChEMBL |
N/A |
Similar entries
MM73345
Similarity: 0.776
Similarity to MM73345
| Tanimoto metric | 0.776 |
|---|---|
| Cosine metric | 0.8809 |
| Dice metric | 0.8739 |
| MW: | 125.17 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | -0.12 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM355646
Similarity: 0.7746
Similarity to MM355646
| Tanimoto metric | 0.7746 |
|---|---|
| Cosine metric | 0.873 |
| Dice metric | 0.873 |
| MW: | 141.17 |
||||
|---|---|---|---|---|---|
| PI: | 2
Total passive interactions
|
| LogP: | -1.14 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
MM38586
Similarity: 0.773
Similarity to MM38586
| Tanimoto metric | 0.773 |
|---|---|
| Cosine metric | 0.872 |
| Dice metric | 0.872 |
| MW: | 139.2 |
||||
|---|---|---|---|---|---|
| PI: | 1
Total passive interactions
|
| LogP: | 0.27 |
||||
|---|---|---|---|---|---|
| AI: | 0
Total active interactions
|
+471 more
